hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)

C20H30O2 — CID 172708535

IUPAChydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
SMILESCc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.OO
InChIInChI=1S/2C10H14.H2O2/c2*1-8(2)10-6-4-5-9(3)7-10;1-2/h2*4-8H,1-3H3;1-2H
InChIKeyDXSPJMFFBTWAQQ-UHFFFAOYSA-N
MW302.46 g/mol
LogP6.25
Rot. Bonds2

About hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)

hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene) (PubChem CID 172708535) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene).

Molecular Properties

Compound Namehydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
PubChem CID172708535
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Namehydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
SMILESCc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.OO
InChIInChI=1S/2C10H14.H2O2/c2*1-8(2)10-6-4-5-9(3)7-10;1-2/h2*4-8H,1-3H3;1-2H
InChIKeyDXSPJMFFBTWAQQ-UHFFFAOYSA-N
XLogP6.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene;ethane;1-methyl-3-propan-2-ylbenzene
CID 143383161
ethane;1-methyl-3-propan-2-ylbenzene
CID 142020139
1-methyl-3-propan-2-ylbenzene;molecular hydrogen;toluene
CID 170971912
ethane;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene)
CID 158672688
cumene;ethane;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene
CID 158230209
methane;1-methyl-3-propan-2-ylbenzene;prop-1-yne
CID 144521771
(1R,2R)-1-(3-methylphenyl)propane-1,2-diol
CID 134966873
1-(1-hydroperoxyethyl)-3-methylbenzene
CID 131858292
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
1-methyl-3-(3-propan-2-ylphenoxy)benzene
CID 70851605
CID 142381961
CID 142381961
2-(3-methylphenyl)propan-1-ol
CID 21478686

Frequently Asked Questions

What is the IUPAC name of hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)?
The IUPAC name of hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene) (CID 172708535) is hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene).
What is the SMILES notation for hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)?
The canonical SMILES for hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene) is Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.OO.
What is the InChIKey of hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)?
The InChIKey is DXSPJMFFBTWAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H14.H2O2/c2*1-8(2)10-6-4-5-9(3)7-10;1-2/h2*4-8H,1-3H3;1-2H.
What are the key properties of hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)?
hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene) has a molecular weight of 302.46 g/mol, XLogP of 6.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene) is sourced from PubChem (CID 172708535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).